Hi there
I am building a structure from 12 high-resolution crystal structures of high (>75%) sequence homology. When I run model-multiple.py I get the following error:
******************* >mod9v1 model- multiple.py 'import site' failed; use -v for traceback Traceback (most recent call last): File "model-multiple.py", line 35, in ? a.make() # do the actual homology modeling File "C:\Program Files\Modeller9v1\modlib\modeller\automodel\automodel.py", li ne 108, in make self.homcsr(exit_stage) File "C:\Program Files\Modeller9v1\modlib\modeller\automodel\automodel.py", li ne 403, in homcsr aln = self.read_alignment() File "C:\Program Files\Modeller9v1\modlib\modeller\automodel\automodel.py", li ne 397, in read_alignment aln.append(file=self.alnfile, align_codes=self.knowns+[self.sequence]) File "C:\Program Files\Modeller9v1\modlib\modeller\alignment.py", line 76, in append io=io.modpt, libs=self.env.libs.modpt, File "C:\Program Files\Modeller9v1\modlib\modeller\io_data.py", line 35, in __ get_modpt self.atom_files_directory) TypeError: in method 'set_io_data', argument 5 of type 'char const *'
********************************* Any help would be appreciated!
Best regards, Eeson
Eeson Rajendra wrote: > Hi there > > I am building a structure from 12 high-resolution crystal structures of > high (>75%) sequence homology. When I run model-multiple.py I get the > following error: > > TypeError: in method 'set_io_data', argument 5 of type 'char const *'
It looks like you set io.atom_files_directory to something which is not a char * (i.e. not a string). If it's not clear from looking at your script what you did wrong, please post the script so that we can look at it.
Ben Webb, Modeller Caretaker
Hi again
I have checked the script but cannot see the problem. The model-multiple.py script I am using is below and the Modeller error message is repeated at the bottom.
Thanks, Eeson
*************************************** # Homology modeling with multiple templates
from modeller import * # Load standard Modeller classes
from modeller.automodel import * # Load the automodel class
log.verbose() # request verbose output
env = environ() # create a new MODELLER environment to build this model in
# directories for input atom files
env.io.atom_files_directory = ('1abc', '1def', '1ghi', '1jkl')
a = automodel (env,
alnfile = 'RR alignment file.txt', # alignment filename
knowns = ('1abc', '1def', '1ghi', '1jkl'), # codes of the templates
sequence = 'hNTD') # code of the target
a.starting_model= 1 # index of the first model
a.ending_model = 1 # index of the last model
# (determines how many models to calculate)
a.make() # do the actual homology modeling
>******************* >>mod9v1 model- >multiple.py >'import site' failed; use -v for traceback >Traceback (most recent call last): > File "model-multiple.py", line 35, in ? > a.make() # do the actual homology modeling > File "C:\Program >Files\Modeller9v1\modlib\modeller\automodel\automodel.py", li ne 108, in >make > self.homcsr(exit_stage) > File "C:\Program >Files\Modeller9v1\modlib\modeller\automodel\automodel.py", li ne 403, in >homcsr > aln = self.read_alignment() > File "C:\Program >Files\Modeller9v1\modlib\modeller\automodel\automodel.py", li ne 397, in >read_alignment > aln.append(file=self.alnfile, align_codes=self.knowns+[self.sequence]) > File "C:\Program Files\Modeller9v1\modlib\modeller\alignment.py", line >76, in append > io=io.modpt, libs=self.env.libs.modpt, > File "C:\Program Files\Modeller9v1\modlib\modeller\io_data.py", line 35, >in __ get_modpt > self.atom_files_directory) >TypeError: in method 'set_io_data', argument 5 of type 'char const *' > >*********************************
Eeson Rajendra wrote: > I have checked the script but cannot see the problem. ... > # directories for input atom files > > env.io.atom_files_directory = ('1abc', '1def', '1ghi', '1jkl')
atom_files_directory should be a string containing a colon-separated set of directories in which to look for PDB files. It is not a list of PDB codes. See any of the example files, such as http://salilab.org/modeller/9v1/manual/node16.html
Ben Webb, Modeller Caretaker
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Eeson Rajendra
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Modeller Caretaker